timings, energy, virial tallying

This commit is contained in:
Steve Plimpton
2022-05-18 08:49:31 -06:00
parent dbcc08ba00
commit df2ecf5bf8
12 changed files with 230 additions and 244 deletions

View File

@ -192,6 +192,12 @@ void PairHybrid::compute(int eflag, int vflag)
if (vflag_fdotr) virial_fdotr_compute();
}
/* ---------------------------------------------------------------------- */
void PairHybrid::finish()
{
for (int m = 0; m < nstyles; m++) styles[m]->finish();
}
/* ---------------------------------------------------------------------- */